ethyl 4,4-dimethyl-3-oxidanylidene-hexanoate; 2-methylpropan-2-ol; titanium

Systemtic Name: ethyl 4,4-dimethyl-3-oxidanylidene-hexanoate; 2-methylpropan-2-ol; titanium Openeye Name: ethyl 4,4-dimethyl-3-oxo-hexanoate; 2-methylpropan-2-ol; titanium CAS Name: 4,4-dimethyl-3-oxohexanoic acid ethyl ester; 2-methyl-2-propanol; titanium IUPAC Name: ethyl 4,4-dimethyl-3-oxohexanoate; 2-methylpropan-2-ol; titanium Traditional Name: 3-keto-4,4-dimethyl-hexanoic acid ethyl ester; 2-methylpropan-2-ol; titanium Formula: C28H56O8Ti MolecularWeight: 568.60644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)CC(=O)OCC.CCC(C)(C)C(=O)CC(=O)OCC.CC(C)(C)O.CC(C)(C)O.[Ti]

Isomeric SMILES

CCC(C)(C)C(=O)CC(=O)OCC.CCC(C)(C)C(=O)CC(=O)OCC.CC(C)(C)O.CC(C)(C)O.[Ti]

InChI

InChI=1S/2C10H18O3.2C4H10O.Ti/c2*1-5-10(3,4)8(11)7-9(12)13-6-2;2*1-4(2,3)5;/h2*5-7H2,1-4H3;2*5H,1-3H3;